1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone

C6H10N2O — CID 14109947

IUPAC1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone
SMILESCC(=O)N1C=NCCC1
InChIInChI=1S/C6H10N2O/c1-6(9)8-4-2-3-7-5-8/h5H,2-4H2,1H3
InChIKeyWLVSSRVSHBAMGJ-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.27
Rot. Bonds

About 1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone

1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone (PubChem CID 14109947) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone
PubChem CID14109947
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone
SMILESCC(=O)N1C=NCCC1
InChIInChI=1S/C6H10N2O/c1-6(9)8-4-2-3-7-5-8/h5H,2-4H2,1H3
InChIKeyWLVSSRVSHBAMGJ-UHFFFAOYSA-N
XLogP0.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 12384565
1,2-Dimethyl-4,5-dihydropyrimidin-6-one
CID 20707762
1-Propan-2-yl-4,5-dihydropyrimidin-6-one
CID 20785819
1-Ethyl-2-methyl-4,5-dihydropyrimidin-6-one
CID 21720732
1-Methyl-4,5-dihydropyrimidin-6-one
CID 54061083
1-Ethyl-4,5-dihydropyrimidin-6-one
CID 57720770
3-Propan-2-yl-4,5-dihydropyrimidin-6-one
CID 59104104
3-Ethyl-4,5-dihydropyrimidin-6-one
CID 69299336
1-Ethyl-5-methylpyrimidine-4,6-dione
CID 89243801
1,5-Dimethyl-4,5-dihydropyrimidin-6-one
CID 89495232
1-propyl-4H-imidazol-5-one
CID 89553821
1-Tert-butyl-4,5-dihydropyrimidin-6-one
CID 141668098

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
The IUPAC name of 1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone (CID 14109947) is 1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone.
What is the SMILES notation for 1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
The canonical SMILES for 1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone is CC(=O)N1C=NCCC1.
What is the InChIKey of 1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
The InChIKey is WLVSSRVSHBAMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6(9)8-4-2-3-7-5-8/h5H,2-4H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone has a molecular weight of 126.16 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone is sourced from PubChem (CID 14109947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).